[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone

C14H22N2O3 — CID 95312025

IUPAC[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCC[C@@H](O)CN1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C14H22N2O3/c1-3-12(17)10-15-5-7-16(8-6-15)14(18)13-4-9-19-11(13)2/h4,9,12,17H,3,5-8,10H2,1-2H3/t12-/m1/s1
InChIKeyUVSNPZPQIFDZFA-GFCCVEGCSA-N
MW266.34 g/mol
LogP1.12
Rot. Bonds4

About [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone

[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 95312025) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID95312025
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCC[C@@H](O)CN1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C14H22N2O3/c1-3-12(17)10-15-5-7-16(8-6-15)14(18)13-4-9-19-11(13)2/h4,9,12,17H,3,5-8,10H2,1-2H3/t12-/m1/s1
InChIKeyUVSNPZPQIFDZFA-GFCCVEGCSA-N
XLogP1.12
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80660536
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 43252022
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
tert-butyl 3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propanoate
CID 56798003
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95613262
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064
2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95613160
(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95346804
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 31427575

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone (CID 95312025) is [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone is CC[C@@H](O)CN1CCN(C(=O)c2ccoc2C)CC1.
What is the InChIKey of [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is UVSNPZPQIFDZFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-12(17)10-15-5-7-16(8-6-15)14(18)13-4-9-19-11(13)2/h4,9,12,17H,3,5-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 95312025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).